General Information of the Compound
| Compound ID |
CP0965662
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| Compound Name |
4-[5-(4-Benzyloxycarbonylphenyl)-furo[2,3-c]pyridin-2-yl]piperidine-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C31H32N2O5
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| Molecular Weight |
512.606
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4ccc(C(=O)OCc5ccccc5)cc4)ncc3o2)CC1
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| InChI |
InChI=1S/C31H32N2O5/c1-31(2,3)38-30(35)33-15-13-23(14-16-33)27-18-25-17-26(32-19-28(25)37-27)22-9-11-24(12-10-22)29(34)36-20-21-7-5-4-6-8-21/h4-12,17-19,23H,13-16,20H2,1-3H3
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| InChIKey |
IPPTYVZUMKNORC-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound